[(2R)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [(2R)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [(1R)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [(2R)-1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylanilino)-1-oxopropan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [(1R)-2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@@H](C)OC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O5S/c1-16-9-7-8-12-19(16)25-22(27)17(2)30-23(28)20(13-14-31-3)24-21(26)15-29-18-10-5-4-6-11-18/h4-12,17,20H,13-15H2,1-3H3,(H,24,26)(H,25,27)/t17-,20+/m1/s1